SCHEMBL7561580

SCHEMBL7561580

CCCCCOc1ccnc2ccccc12

nearest known ligand 0.81

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TLR8 Q9NR97 3/20 0.50
MEN1 O00255 1/20 0.47
HTT P42858 1/20 0.47
KMT2A Q03164 1/20 0.47
CNR1 P21554 2/20 0.45
CNR2 P34972 2/20 0.45
CYP2C9 P11712 2/20 0.45
NCF1 P14598 3/20 0.44
FAAH O00519 1/20 0.44
MGLL Q99685 1/20 0.44
LOXL2 Q9Y4K0 1/20 0.43
S1PR2 O95136 1/20 0.43
LMNA P02545 1/20 0.43
SMN1; SMN2 Q16637 1/20 0.43
NPSR1 Q6W5P4 1/20 0.43
HTR1B P28222 1/20 0.43
CYP1A2 P05177 1/20 0.42
CYP2C19 P33261 1/20 0.42
THRA P10827 1/20 0.42
THRB P10828 1/20 0.42

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL7590766 0.98 TLR8 (0.51) TLR8MEN1HTTKMT2ACNR1
SCHEMBL16836384 0.95 TLR8 (0.49) TLR8CNR1CNR2CYP2C9NCF1
SCHEMBL19938062 0.90 TLR8 (0.47) TLR8MEN1KMT2ACNR1CNR2
SCHEMBL2333830 0.90 NCF1 (0.51) NCF1LOXL2
SCHEMBL10945765 0.87 NCF1 (0.51) TLR8MEN1KMT2ACNR1CNR2
SCHEMBL10950611 0.87 NCF1 (0.51) TLR8MEN1KMT2ACNR1CNR2
SCHEMBL27530219 0.84 TLR8 (0.41) TLR8MEN1HTTKMT2ACNR1
SCHEMBL23716938 0.83 CNR2 (0.46) TLR8HTTKMT2ACNR1CNR2
SCHEMBL827493 0.83 HTR1B (0.47) TLR8MEN1KMT2ACYP2C9NCF1
SCHEMBL526387 0.82 LOXL2 (0.48) TLR8MEN1HTTKMT2ACYP2C9

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10654807-B2 Toll-like receptor 8 agonists THE UNIVERSITY OF KANSAS (US) 2020-05-19 US disclosed
US-20160347715-A1 Toll-Like Receptor 8 Agonists THE UNIVERSITY OF KANSAS 2016-12-01 US disclosed
WO-2015095780-A1 TOLL-LIKE RECEPTOR 8 AGONISTS THE UNIVERSITY OF KANSAS (US) 2015-06-25 WO disclosed
EP-0326330-B1 Quinoline fungicides DOW AGROSCIENCES LLC (US) 2002-07-24 EP disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (2 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-10654807-B2 Toll-like receptor 8 agonists TLR8, TLR7, TLR1 TLR8 1/4885MEN1 4436/4885HTT 1033/4885
US-20160347715-A1 Toll-Like Receptor 8 Agonists TLR8, TLR7, TLR1 TLR8 1/4885MEN1 4436/4885HTT 1033/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.